Dear Mohammad, Thanks for your message to Hans Dolhaine which you sent about two months ago. Unfortunately your request cannot be fulfilled. I regret to inform you that my husband died in December 2022. All the best to you and your family, kind regards, Angelika

I modified the function delta to take 2 lists of numbers, rather than just 2 numbers, and now the function works as expected, as does the optimization.

Regarding fitting spectra in general, I was actually thinking of fitting the actual line shape of the observed spectrum. This is particularly important when lines are close together and the apparent chemical shift of a peak is shifted. All one needs are the signal intensities for a transformed and phase corrected FID.

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Thanks Robert.

I modified the notebook by putting all functions and other goodies needed in initialization cells. Now it is easier to calculate a spectrum "directly". See notebook NMR1.

It seems to turn out that the method of Part2 is faster, at least for 3-Spin-Systems.

Then I changed the notebook again to allow for an application of FindMinimum or NMinimize. See notebook NMR2 - but that does not work, and I have no idea why. Can anyone help here?

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